We use the interaction data between drugs and target proteins collected by [1]}, available at http://web.kuicr.kyoto-u.ac.jp/supp/yoshi/drugtarget. The dataset is collected from various databases like SuperTarget [2]}, DrugBank [3]}, KEGG BRITE [4]}, and BRENDA [5]}.
This dataset includes four main subsets: enzymes, ion channels (IC), G-protein-coupled receptors (GPCR) and nuclear receptors (NR). The statics of the interaction are shown in Table REF . We obtained the protein sequence information from UniProt [6]}, and the drug fingerprint data from PubChem [7]}. Note that there are a few proteins and drugs that have been removed in the newer version of databases, so we did not include them in our training.
